N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide

C19H20N2O3 — CID 53089540

IUPACN-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3nc(C(C)C)oc3c2)c1
InChIInChI=1S/C19H20N2O3/c1-12(2)19-21-16-8-7-14(10-17(16)24-19)18(22)20-11-13-5-4-6-15(9-13)23-3/h4-10,12H,11H2,1-3H3,(H,20,22)
InChIKeySADUCODWNMOOMN-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.89
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide

N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide (PubChem CID 53089540) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
PubChem CID53089540
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3nc(C(C)C)oc3c2)c1
InChIInChI=1S/C19H20N2O3/c1-12(2)19-21-16-8-7-14(10-17(16)24-19)18(22)20-11-13-5-4-6-15(9-13)23-3/h4-10,12H,11H2,1-3H3,(H,20,22)
InChIKeySADUCODWNMOOMN-UHFFFAOYSA-N
XLogP3.89
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089494
N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134799606
N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089495
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
N-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 95074884
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17100829
4-methoxy-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)quinoline-6-carboxamide
CID 46319113

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide (CID 53089540) is N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide is COc1cccc(CNC(=O)c2ccc3nc(C(C)C)oc3c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide?
The InChIKey is SADUCODWNMOOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12(2)19-21-16-8-7-14(10-17(16)24-19)18(22)20-11-13-5-4-6-15(9-13)23-3/h4-10,12H,11H2,1-3H3,(H,20,22).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide?
N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 53089540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).